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revision 16 by rtomiyasu, Fri Apr 26 08:50:24 2013 UTC revision 25 by rtomiyasu, Mon Jul 7 02:35:51 2014 UTC
# Line 24  OUT OF OR IN CONNECTION WITH THE SOFTWAR Line 24  OUT OF OR IN CONNECTION WITH THE SOFTWAR
24  THE SOFTWARE.  THE SOFTWARE.
25   *   *
26   */   */
27  #include "gather_additional_Q.hh"  #include "gather_q_of_3D_lattice.hh"
28  #include "../utility_func/zmath.hh"  #include "../utility_func/zmath.hh"
29  #include "../zlog/zlog.hh"  #include "../zlog/zlog.hh"
30  #include "../ControlParam.hh"  #include "../ControlParam.hh"
# Line 76  void LatticeFigureOfMeritToDisplay::rese Line 76  void LatticeFigureOfMeritToDisplay::rese
76          qobs_range.begin = 0.0;          qobs_range.begin = 0.0;
77          qobs_range.end = m_qdata.rbegin()->q + sqrt(cv2 * m_qdata.rbegin()->q_var);          qobs_range.end = m_qdata.rbegin()->q + sqrt(cv2 * m_qdata.rbegin()->q_var);
78    
79          m_latfom.putMillerIndicesInRange(qobs_range.begin, qobs_range.end, m_cal_hkl_tray);          m_latfom.putMillerIndicesInRange(qobs_range.end, m_cal_hkl_tray);
80          m_associated_hkl_tray.clear();          m_associated_hkl_tray.clear();
81          m_associated_hkl_tray.resize(num_fit_data);          m_associated_hkl_tray.resize(num_fit_data);
82    
# Line 199  void LatticeFigureOfMeritToDisplay::putP Line 199  void LatticeFigureOfMeritToDisplay::putP
199          const Double& wave_length = cdata.putWaveLength();          const Double& wave_length = cdata.putWaveLength();
200    
201          const vector< VecDat3<Int4> >& hkl_to_fit = putMillerIndicesToFit();          const vector< VecDat3<Int4> >& hkl_to_fit = putMillerIndicesToFit();
202          const ArrayIndex num_obsQ = hkl_to_fit.size();          const size_t num_obsQ = hkl_to_fit.size();
203          const SymMat<Double>& dbl_S = m_latfom.putOptimizedForm().first;          const SymMat<Double>& dbl_S = m_latfom.putOptimizedForm().first;
204    
205          cal_q_tray.clear();          cal_q_tray.clear();
206          cal_pos_tray.clear();          cal_pos_tray.clear();
207          cal_q_tray.resize(num_obsQ);          cal_q_tray.resize(num_obsQ);
208          cal_pos_tray.resize(num_obsQ);          cal_pos_tray.resize(num_obsQ);
209          for(ArrayIndex l=0; l<num_obsQ; l++)          for(size_t l=0; l<num_obsQ; l++)
210          {          {
211                  const VecDat3<Int4>& hkl = hkl_to_fit.at(l);                  const VecDat3<Int4>& hkl = hkl_to_fit.at(l);
212                  const Double q_cal = norm(hkl, dbl_S);                  const Double q_cal = norm(hkl, dbl_S);
# Line 245  void LatticeFigureOfMeritToDisplay::prin Line 245  void LatticeFigureOfMeritToDisplay::prin
245    
246          const vector< VecDat3<Int4> >& hkl_to_fit = putMillerIndicesToFit();          const vector< VecDat3<Int4> >& hkl_to_fit = putMillerIndicesToFit();
247          const vector<bool>& fix_or_fit_flag = putFittingIDs();          const vector<bool>& fix_or_fit_flag = putFittingIDs();
248          const ArrayIndex num_obsQ = hkl_to_fit.size();          const size_t num_obsQ = hkl_to_fit.size();
249    
250          Vec_DP cal_q_tray, cal_pos_tray;          Vec_DP cal_q_tray, cal_pos_tray;
251          this->putPeakPosToFit(cdata, cal_q_tray, cal_pos_tray);          this->putPeakPosToFit(cdata, cal_q_tray, cal_pos_tray);
252    
253          os->width(label_start);          os->width(label_start);
254          *os << "" << "<!-- q_obs, q_err, q_cal, peak_pos, peak_width, pos_cal, hkl, fix_or_fit.-->\n";          *os << "" << "<!-- q_obs, q_err, q_cal, peak_pos, peak_width, pos_cal, hkl, fix_or_fit.-->\n";
255          for(ArrayIndex l=0; l<num_obsQ; l++)          for(size_t l=0; l<num_obsQ; l++)
256          {          {
257                  os->width(15);                  os->width(15);
258                  *os << m_qdata.at(l).q;                  *os << m_qdata.at(l).q;

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